(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate

C16H11ClN2O3 — CID 134105909

IUPAC(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate
SMILESCc1ccn2c(=O)cc(OC(=O)c3ccccc3Cl)nc2c1
InChIInChI=1S/C16H11ClN2O3/c1-10-6-7-19-13(8-10)18-14(9-15(19)20)22-16(21)11-4-2-3-5-12(11)17/h2-9H,1H3
InChIKeyANUUMLRUMOAQOB-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.88
Rot. Bonds2

About (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate

(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate (PubChem CID 134105909) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate.

Molecular Properties

Compound Name(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate
PubChem CID134105909
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate
SMILESCc1ccn2c(=O)cc(OC(=O)c3ccccc3Cl)nc2c1
InChIInChI=1S/C16H11ClN2O3/c1-10-6-7-19-13(8-10)18-14(9-15(19)20)22-16(21)11-4-2-3-5-12(11)17/h2-9H,1H3
InChIKeyANUUMLRUMOAQOB-UHFFFAOYSA-N
XLogP2.88
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate
CID 134105910
(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate
CID 10804213
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate
CID 134087021
(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate
CID 10564684
(4-oxopyrido[1,2-a]pyrimidin-2-yl) 4-methylbenzoate
CID 824944
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 18089260
(4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate
CID 10540095
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(methanesulfonamido)benzoate
CID 24530372
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate
CID 43033394
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-methylbenzoate
CID 166189496
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 43033333
ethyl 2-[[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356326

Frequently Asked Questions

What is the IUPAC name of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate?
The IUPAC name of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate (CID 134105909) is (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate.
What is the SMILES notation for (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate?
The canonical SMILES for (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate is Cc1ccn2c(=O)cc(OC(=O)c3ccccc3Cl)nc2c1.
What is the InChIKey of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate?
The InChIKey is ANUUMLRUMOAQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c1-10-6-7-19-13(8-10)18-14(9-15(19)20)22-16(21)11-4-2-3-5-12(11)17/h2-9H,1H3.
What are the key properties of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate?
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate has a molecular weight of 314.73 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate is sourced from PubChem (CID 134105909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).